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1.
S. Thinagar D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun S. C. Gupta H. Merazig S. Bouacida 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o181-o183
The title compound 3,3′‐[o‐phenylenebis(methyleneoxy)]bis(6‐chloroflavone), C38H24Cl2O6, (I), crystallizes in the monoclinic space group C2/c, with the molecules lying across twofold rotation axes so that there is half a molecule in the asymmetric unit, while the other title compound, 3,3′‐propylenedioxybis[6‐chloro‐2‐(2‐furyl)‐4H‐1‐benzopyran‐4‐one], C29H18Cl2O8, (II), crystallizes in monoclinic space group P21/n with one molecule in the asymmetric unit. In both compounds, the benzopyran moiety is nearly planar, with dihedral angles between the two fused rings of 1.43 (8)° in (I), and 2.54 (7) and 3.00 (6)° with respect to the benzopyran moieties in the two halves of (II). The furan rings are twisted by 8.3 (1) and 8.4 (1)° in the two halves of (II). In both compounds, the molecular structure is stabilized by intramolecular C—H⃛O hydrogen bonds, while the crystal packing is stabilized by C—H⃛Cl and C—H⃛O intermolecular hydrogen bonds in (I) and (II), respectively. 相似文献
2.
Kamlakar Avasthi Deepa Bhagat Chandralata Bal Ashoke Sharon Umesh Yadav Prakas R. Maulik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o409-o412
The crystal structure of 4,6‐bis(methylsulfanyl)‐1‐phthalimidopropyl‐1H‐pyrazolo[3,4‐d]pyrimidine, C18H17N5O2S2, (VI), reveals an unusual folded conformation due to an apparent intramolecular C—H⃛π interaction between the 6‐methylsulfanyl and phenyl groups. However, the closely related compound 6‐methylsulfanyl‐1‐phthalimidopropyl‐4‐(pyrrolidin‐1‐yl)‐1H‐pyrazolo[3,4‐d]pyrimidine, C21H22N6O2S, (VII), exhibits a fully extended structure, devoid of any intramolecular C—H⃛π or π–π interactions. The crystal packing of both molecules involves intermolecular stacking interactions due to aromatic π–π interactions. In addition, (VI) exhibits intermolecular C—H⃛O hydrogen bonding and (VII) exhibits dimerization of the molecules through intermolecular C—H⃛N hydrogen bonding. 相似文献
3.
Srinivasulu Aitipamula Ashwini Nangia Ram Thaimattam Mariusz Jasklski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o481-o484
In tris(4‐hydroxyphenyl)methane (or 4,4′,4′′‐methanetriyltriphenol), C19H16O3, molecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxyphenyl)methane–4,4′‐bipyridine (1/1), C19H16O3·C10H8N2, trisphenol molecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bipyridine molecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure. 相似文献
4.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o207-o209
Borohydride reduction of N‐(4‐nitrobenzylidene)‐4‐iodoaniline has yielded the title compound, 1,2‐bis[4‐(4‐iodophenylaminomethyl)phenyl]diazene 1‐oxide, C26H22I2N4O. The molecules lie across centres of inversion in P21/c, with the azoxy O atom disordered over two sites, each having an occupancy of 0.5. The molecules are linked into sheets by a combination of C—H⃛O and C—H⃛π(arene) hydrogen bonds. 相似文献
5.
Fang‐Jun Huo Cai‐Xia Yin Xiang‐Lin Jin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o332-o335
The two title chromene compounds, 3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C16H12O2, (I), and 2‐(2‐hydroxybenzylidene)‐3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C19H14O3, (II), have been determined in the monoclinic space group P21/n. Compound (I) is mainly stabilized by C—H⋯π interactions. Compound (II) is linked into infinite one‐dimensional chains with a C(3) motif via intermolecular O—H⋯O hydrogen bonds. The intermolecular C—H⋯π and π–π interactions also play key roles in stabilizing the crystal packing. Two intramolecular C—H⋯O hydrogen bonds with S(5) motifs were detected in (II). 相似文献
6.
E. Mothi Mohamed Samraj Muralidharan Krishnaswamy Panchanatheswaran Rengan Ramesh John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o367-o369
Molecules of the title compound, alternatively called (R,R)‐N,N′‐bis(3‐methoxysalicylidene)‐trans‐cyclohexane‐1,2‐diamine, C22H26N2O4, contain two intramolecular O—H⃛N hydrogen bonds and adopt a conformation with approximate twofold rotational symmetry. The molecules are linked by three C—H⃛O hydrogen bonds [H⃛O = 2.45–2.55 Å, C⃛O = 3.329 (2)–3.398 (2) Å and C—H⃛O = 142–172°] into a continuous framework. 相似文献
7.
Raphaël Frdrick Bernadette Norberg Franois Durant Frederic Ooms Johan Wouters 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o623-o626
The structures of three compounds, namely 7‐methoxy‐2‐[3‐(trifluoromethyl)phenyl]‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C19H11F3N2O2, (Id), 6‐methoxy‐2‐[3‐(trifluoromethyl)phenyl]‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C19H11F3N2O2, (IId), and 2‐methyl‐6‐(4,4,4‐trifluorobutoxy)‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C16H13F3N2O2, (IIf), which are potent reversible type‐B monoamine oxidase (MAO‐B) inhibitors, are presented and discussed. Compounds (Id) and (IId) crystallize in a nearly planar conformation. The crystal structures are stabilized by weak C—H⋯O hydrogen bonds. The packing is dominated by π–π stacking interactions between the heterocyclic central moieties of centrosymmetrically related molecules. In compound (IIf), the trifluoroethyl termination is almost perpendicular to the plane of the ring. 相似文献
8.
Christopher Glidewell John N. Low Manuel Melguizo Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o202-o204
Molecules of the title compound, C6H9N3O2, are linked by an N—H⃛O hydrogen bond [H⃛O = 2.29 Å, N⃛O = 3.169 (2) Å and N—H⃛O = 173°] and an N—H⃛N hydrogen bond [H⃛N = 2.12 Å, N⃛N = 2.999 (2) Å and N—H⃛N = 175°] into sheets containing centrosymmetric R(8) and R(28) rings; the sheets are reinforced by a single aromatic π–π‐stacking interaction. 相似文献
9.
Wenqing Lin Frank Seela Henning Eickmeier Hans Reuter 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o566-o568
In the tricyclic nucleoside 7‐(β‐d ‐ribofuranosyl)‐7H‐imidazo[1,2‐c]pyrazolo[4,3‐e][1,2,3]triazine, C11H12N6O4, the conformation of the N‐glycosyl bond is intermediate between anti and high anti [χ = −103.5 (3)°]. The ribofuranose moiety adopts a 3T2 sugar pucker (S‐type sugar) and the conformation at the exocyclic C—C bond is ap (gauche–trans). Molecules of the title compound form a three‐dimensional network via three medium–strong intermolecular hydrogen bonds (one O—H⋯N and two O—H⋯O bonds). 相似文献
10.
Hernando A. Trujillo Wendy M. Simon Erin T. Pelkey Gordon W. Gribble Jerry P. Jasinski 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):386-388
In the isomeric compounds 2‐benzyl‐3‐methyl‐1‐phenylbenzo[b]furo[2,3‐c]pyrrole and 2‐benzyl‐1‐methyl‐3‐phenylbenzo[b]furo[2,3‐c]pyrrole, both C24H19NO, the pyrrole ring, although presumably somewhat strained, does not differ appreciably from N‐methylpyrrole except for a relatively short C—C single bond in the pyrrole ring. 相似文献
11.
12.
John Nicolson Low Justo Cobo Braulio Insuasty Manuel Nogueras Angela Salcedo Adolfo Snchez 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o125-o128
The title compounds, 2‐(4‐bromophenyl)‐1,2‐dihydropyrimido[1,2‐a]benzimidazol‐4‐(3H)‐one, C16H12BrN3O, (IVa), and 4‐(4‐methylphenyl)‐3,4‐dihydropyrimido[1,2‐a]benzimidazol‐2‐(1H)‐one, C17H15N3O, (Vb), both form R(8) centrosymmetric dimers via N—H?N hydrogen bonds. The N?N distance is 2.943 (3) Å for (IVa) and 2.8481 (16) Å for (Vb), with the corresponding N—H?N angles being 129 and 167°, respectively. However, in other respects, the supramolecular structures of the two compounds differ. Both compounds contain different C—H?π interactions, in which the C—H?π(centroid) distances are 2.59 and 2.47 Å for (IVa) and (Vb), respectively (the latter being a short distance), with C—H?π(centroid) angles of 158 and 159°, respectively. The supramolecular structures also differ, with a short Br?O distance of 3.117 (2) Å in bromo derivative (IVa), and a C—H?O interaction with a C?O distance of 3.2561 (19) Å and a C—H?O angle of 127° in tolyl system (Vb). The dihydropyrimido part of (Vb) is disordered, with a ratio of the major and minor components of 0.9:0.1. The disorder consists of two non‐interchangeable envelope conformers, each with an equatorial tolyl group and an axial methine H atom. 相似文献
13.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m1-m4
In the adduct ferrocene‐1,1′‐diylbis(diphenylmethanol)–1,2‐bis(4‐pyridyl)ethene (1/1), [Fe(C18H15O)2]·C12H10N2, there is an intramolecular O—H?O hydrogen bond in the ferrocenediol component and a single O—H?N hydrogen bond linking the diol to the diamine, which is disordered over two sets of sites, so forming a finite monomeric adduct. In the adduct ferrocene‐1,1′‐diylbis(diphenylmethanol)–1,6‐diaminohexane (2/1), 2[Fe(C18H15O)2]·C6H16N2, the amine lies across a centre of inversion in space group P. There is an intramolecular O—H?O hydrogen bond in the ferrocenediol, and the molecular components are linked by O—H?N and N—H?O hydrogen bonds, one of each type, into a C(13)[R(12)] chain of rings. 相似文献
14.
A. Subbiah Pandi D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun M. C. Bansal 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o302-o304
The title compound, C19H20O6, crystallizes in the centrosymmetric space group P21/c with one molecule in the asymmetric unit. The molecule is approximately planar and the dihedral angle between the phenyl rings is 11.0 (1)°. The H atoms of the central propenone group are trans. There is an intramolecular O—H⃛O hydrogen bond and the molecules are crosslinked by four intermolecular C—H⃛O hydrogen bonds, producing a three‐dimensional network. 相似文献
15.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o1-o5
In the adduct 1,2‐bis(4‐pyridyl)ethane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C12H12N2·2C20H18O3, the bipyridyl component lies across an inversion centre in P. The tris‐phenol molecules [systematic name: 4,4′,4′′‐(ethane‐1,1,1‐triyl)triphenol] are linked by O—H?O hydrogen bonds to form sheets built from R(38) rings, and symmetry‐related pairs of sheets are linked by the bipyridyl molecules via O—H?N hydrogen bonds to form open bilayers. Each bilayer is interwoven with two adjacent bilayers, forming a continuous three‐dimensional structure. In the adduct 1,2‐bis(4‐pyridyl)ethene–1,1,1‐tris(4‐hydroxyphenyl)ethane–methanol (1/1/1), C12H10N2·C20H18O3·CH4O, the molecules are linked by O—H?O and O—H?N hydrogen bonds into three interwoven three‐dimensional frameworks, generated by single spiral chains along [010] and [001] and a triple‐helical spiral along [100]. 相似文献
16.
Tuncay TuncÛ Musa Sar Rahmi Yagbasan Habibe Tezcan Ertan SÛahin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o192-o193
Molecules of the title compound (alternative name p‐methoxybenzaldehyde 2‐pyridylhydrazone), C13H13N3O, adopt an E configuration about the azomethine C=N double bond. Molecules are almost planar, the dihedral angle between the pyridine and methoxyphenyl rings being only 6.19 (12)°. Pairwise N—H⃛N hydrogen bonds [R(8) in graph‐set notation] link centrosymmetrically related molecules into discrete pairs. 相似文献
17.
Rafael Lpez Garzn M. Luz Godino Salido John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m291-m293
The title compound, whose structure has been redetermined at 120 K, contains almost centrosymmetric trans‐[Zn(C5H5N4O3)2(H2O)2]·2H2O units, together with two uncoordinated water molecules. An extensive series of O—H⃛O, O—H⃛N and N—H⃛O hydrogen bonds gives rise to a three‐dimensional framework structure. 相似文献
18.
Samuel Sakwa Kraig A. Wheeler 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o332-o334
The title compounds, bis(ammonium) naphthalene‐1,5‐disulfonate, 2NH4+·C10H6O6S22−, and bis[1‐(hydroxymethyl)‐3,5,7‐triaza‐1‐azoniatricyclo[3.3.1.13,7]decane] 1,5‐naphthalenedisulfonate, 2C7H15N4O+·C10H6O6S22−, were prepared from the acid‐promoted reaction of hexamethylenetetramine. In both structures, the disulfonate anion is positioned on an inversion center, with each sulfonate group contributing to the supramolecular assemblies via hydrogen bonds. The ammonium cations are linked to sulfonate groups by four distinct N+—H⃛−O—S contacts [N⃛O = 2.846 (2)–2.898 (2) Å and N—H⃛O = 160 (2)–175 (2)°], whereas the 1‐(hydroxymethyl)‐3,5,7‐triaza‐1‐azoniatricyclo[3.3.1.13,7]decane cations form one O—H⃛−O—S [O⃛O = 2.628 (2) Å and O—H⃛O = 176°] and three C—H⃛−O—S [C⃛O = 3.359 (2)–3.380 (2) Å and C—H⃛O = 148–155°] interactions to neighboring sulfonate groups. 相似文献
19.
A. Abdul Ajees M. N. Ponnuswamy S. Parthasarathy C. A. M. A. Huq 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):824-826
In the structures of the title compounds, 6,7‐dihydrodibenzo[e,g]azulen‐8(5H)‐one, C18H14O, (I), and 12,13‐dihydrobenzo[e]napth[2,1‐g]azulen‐14(11H)‐one, C22H16O, (II), the azulene group is in a boat‐envelope conformation. The structures are stabilized by weak C—H?O interactions. 相似文献
20.
Robert T. Stibrany Harvey J. Schugar Joseph A. Potenza 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o354-o357
Two of the title compounds, namely (E)‐1,2‐bis(1‐methylbenzimidazol‐2‐yl)ethene, C18H16N4, (Ib), and (E)‐1,2‐bis(1‐ethylbenzimidazol‐2‐yl)ethene, C20H20N4, (Ic), consist of centrosymmetric trans‐bis(1‐alkylbenzimidazol‐2‐yl)ethene molecules, while 3‐ethyl‐2‐[(E)‐2‐(1‐ethylbenzimidazol‐2‐yl)ethenyl]benzimidazol‐1‐ium perchlorate, C20H21N4+·ClO4−, (II), contains the monoprotonated analogue of compound (Ic). In the three structures, the benzimidazole and benzimidazolium moieties are essentially planar; the geometric parameters for the ethene linkages and their bonds to the aromatic groups are consistent with double and single bonds, respectively, implying little, if any, conjugation of the central C=C bonds with the nitrogen‐containing rings. The C—N bond lengths in the N=C—N part of the benzimidazole groups differ and are consistent with localized imine C=N and amine C—N linkages in (Ib) and (Ic); in contrast, the corresponding distances in the benzimidazolium cation are equal in (II), consistent with electron delocalization resulting from protonation of the amine N atom. Crystals of (Ib) and (Ic) contain columns of parallel molecules, which are linked by edge‐over‐edge C—H⋯π overlap. The columns are linked to one another by C—H⋯π interactions and, in the case of (Ib), C—H⋯N hydrogen bonds. Crystals of (II) contain layers of monocations linked by π–π interactions and separated by both perchlorate anions and the protruding ethyl groups; the cations and anions are linked by N—H⋯O hydrogen bonds. 相似文献